Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameCHEMBL3597535
Molecular formulaC34H36ClNO5
IUPAC name4-[1-(carboxymethyl)-7-[(E)-2-[4-[4-(3-chloro-2-methylphenyl)butoxy]phenyl]ethenyl]-2-methylindol-3-yl]butanoic acid
Molecular weight574.114
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP8.1
SynonymsSCHEMBL598227
4-(1-Carboxymethyl-2-methyl-7-(4-(4-(2-methyl-3-chlorophenyl)butyloxy)styryl)-1H-indole-3-yl)butyric acid
BDBM50104872
Inchi KeyNGMXMVOLCRPNIG-OBGWFSINSA-N
Inchi IDInChI=1S/C34H36ClNO5/c1-23-26(9-6-13-31(23)35)8-3-4-21-41-28-19-16-25(17-20-28)15-18-27-10-5-12-30-29(11-7-14-32(37)38)24(2)36(34(27)30)22-33(39)40/h5-6,9-10,12-13,15-20H,3-4,7-8,11,14,21-22H2,1-2H3,(H,37,38)(H,39,40)/b18-15+
PubChem CID66739117
ChEMBLCHEMBL3597535
IUPHARN/A
BindingDB50104872
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
490569Cysteinyl leukotriene receptor 1Q9Y271CYSLTR1Homo sapiens (Human)337
490568Cysteinyl leukotriene receptor 2Q9NS75CYSLTR2Homo sapiens (Human)346

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218